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Fonctionnelles de la densité: des systèmes atomiques aux systèmes nucléaires

3–5 juin 2019
IPN Lyon
Fuseau horaire Europe/Paris

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  1. 5. Welcome and coffee
    03/06/2019 10:30
  2. 6. Introduction
    03/06/2019 11:00

    Mme Anne Ealet, director of IPNL
    M. Philippe Dugourd, director of ILM
    M. Jérôme Margueron, GdR RESANET
    M. Karim Bennaceur, for the organizing committee

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  3. 7. Energy density functional methods for low-energy nuclear structure and reactions (tentative title)
    Michael Bender (IPN Lyon)
    03/06/2019 11:15
  4. 8. An introduction to density functional theory
    Miguel Marques (Martin-Luther University of Halle-Wittenberg)
    03/06/2019 14:00

    This will be an introduction to density-functional theory, starting from the founding Hohenberg-Kohn and Kohn-Sham theorems to more advanced problems. In particular, we will discuss the history of the development of exchange-correlation functionals, and the availability of such functionals for the study of different physical systems.

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  5. 9. Ensemble density-functional theory for excited states
    M. Emmanuel Fromager (University of Strasbourg)
    03/06/2019 14:50

    I will discuss the basics and recent developments in the field of (time-independent) ensemble density-functional theory for neutral and charged electronic excited states.

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  6. 10. Coffee
    03/06/2019 15:40
  7. 11. Dynamics of electrons and nuclei in molecules: Beyond the Born-Oppenheimer approximation
    Federica Agostini (Laboratoire de Chimie Physique, Université Paris-Sud)
    03/06/2019 16:10

    Excited-state dynamics is at the heart of Photophysics and Photochemistry. Nonadiabatic transitions are induced by the strong coupling between electronic dynamics and the ultrafast motion of the nuclei, and are observed in phenomena such as photosynthesis, photovoltaics, and exciton transport in π-conjugated complexes. An essential part of the research efforts in these fields is directed...

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  8. 25. Density functional, from nuclei to neutron stars
    Nicolas Baillot d'Etivaux (IPN Lyon)
    03/06/2019 17:00

    I will present a meta-modeling of the equation of state for the description of nuclear matter, and its application to neutron stars, where the density can reach several times the saturation density of atomic nuclei (the average density of nuclei). This equation of state is based on the extrapolation of our knowledge in nuclear physics around saturation density, towards high density, encoded in...

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  9. 12. Time-dependent DFT: Foundations, Fruition and Failures
    Thomas NIEHAUS (Institut Lumière Matière, Lyon)
    04/06/2019 09:00

    I attempt to review the present state of time-dependent density functional theory (TDDFT) [1,2] applied to electronic systems. After a brief view at the mathematical foundations, I discuss the numerical aspects of the method and provide some illustrative examples of its application. I will also show some of the difficulties that plague TDDFT and how they start to be addressed.

    [1]...

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  10. 13. What can we learn from ultracold atoms about dilute neutron matter?
    Michael Urban (IPN Orsay)
    04/06/2019 09:50
  11. 14. Coffee
    04/06/2019 10:40
  12. 15. Applications of EDF for astrophysics
    Francesca Gulminelli (LPC/Ensicaen)
    04/06/2019 11:10
  13. 24. General predictions for the neutron star crustal moment of inertia
    Thomas Carreau (LPC Caen)
    04/06/2019 12:00

    The neutron star crustal EoS and transition point properties are computed within a unified meta-modeling approach. A Bayesian approach is employed including two types of filters: bulk nuclear properties are controlled from low density effective field theory (EFT) predictions as well as the present knowledge from nuclear experiments, while the surface energy is adjusted on experimental nuclear...

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  14. 16. TBA
    Andreas Savin (Laboratoire de Chimie Theorique, CNRS at Sorbonne Universite)
    04/06/2019 14:30
  15. 17. TBA
    Swagata Mallik Mallik (LPC Caen)
    04/06/2019 15:20
  16. 18. Coffee
    04/06/2019 15:40
  17. 19. Breaking and restoring symmetries in ab initio many-body formalisms
    Thomas Duguet (CEA/Saclay/SPhN)
    04/06/2019 16:10
  18. 20. Modeling reactivity at the solid-liquid interface
    Carine Michel (Laboratoire de Chimie, Ecole Normale Supérieure de Lyon)
    05/06/2019 09:00

    To describe reactions occurring at the solid/water interface is currently one of the major challenges in modeling in Heterogeneous Catalysis. It requires a proper depiction of the water solvent together with an adequate description of the surface state. Several approaches are available nowadays in the literature, from continuum models to a full explicit description of the liquid water [1]. We...

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  19. 21. Selected interdisciplinary aspects of static and time-dependent nuclear DFT
    Denis LACROIX (Institut de Physique Nucléaire)
    05/06/2019 09:50
  20. 22. Coffee
    05/06/2019 10:40
  21. 23. Summary talk: On DFT and EDF in finite fermion systems
    Eric Suraud (Université Paul Sabatier)
    05/06/2019 11:10

    Examples in various systems. Statics and dynamics.

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